VU0227489-2
TL;DR: VU0227489-2 (CAS 845902-44-5) is a chemical compound with molecular formula C21H21N3O3S3 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]ethanol
Also Known As: VU0227489-2, 2-(5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluore n-8-ylsulfanyl)-ethanol, 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)ethanol, 2-{[5-(furan-2-yl)-2,2-dimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethanol
| Molecular Formula | C21H21N3O3S3 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 5.1571 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0745 |
| Heavy Atoms | 30 |
| Complexity | 1235.2294 |
Chemical Identifiers
| CAS Number | 845902-44-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)SCCO)C5=CC=CO5)C |
Product Overview
VU0227489-2 (CAS 845902-44-5), with molecular formula C21H21N3O3S3 and molecular weight 459.07 g/mol. IUPAC: 2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]ethanol.
Chemical Property Profile of VU0227489-2
Property Insights of VU0227489-2
The XLogP value of 5.1571 indicates that VU0227489-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0227489-2. Following Lipinski's Rule of Five, VU0227489-2 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0227489-2?
The CAS number of VU0227489-2 is 845902-44-5.
What is the molecular formula of VU0227489-2?
The molecular formula of VU0227489-2 is C21H21N3O3S3.
What is the molecular weight of VU0227489-2?
The molecular weight of VU0227489-2 is 459.07 g/mol.
Where can I buy VU0227489-2?
You can request a quote for VU0227489-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0227489-2?
Yes, KEHONG BIO provides custom synthesis services for VU0227489-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.